| Phytochemical Name : 2-Isopropylnaphthalene |
| PCNDIDOT0621 |
| Pubchem CID : 16238 |
| Molecular formula: C13H14 |
| Canonical SMILES : CC(C)C1=CC2=CC=CC=C2C=C1 |
Synonymes : 2-ISOPROPYLNAPHTHALENE|2027-17-0|2-iso-Propylnaphthalene|Naphthalene, 2-(1-methylethyl)-|2-propan-2-ylnaphthalene|Naphthalene, 2-isopropyl-|2-(1-Methylethyl)naphthalene|beta-Isopropylnaphthalene|.beta.-Isopropylnaphthalene|HSDB 5863|EINECS 217-976-0|UNII-4DTR9UN8SR|4DTR9UN8SR|NSC 166466|BRN 1099059|2-(propan-2-yl)naphthalene|68442-08-0|NSC-166466|4-05-00-01723 (Beilstein Handbook Reference)|2-isopropylnaphthalene 10000 microg/mL in Hexadecane|MFCD00014322|2-isopropyl-naphthalene|C(C)(C)c1ccc2ccccc2c1|DTXSID7051844|Naphthalene,2-(1-methylethyl)-|TVYVQNHYIHAJTD-UHFFFAOYSA-|CAA02717|NSC166466|2-ISOPROPYLNAPHTHALENE [HSDB]|AKOS006229183|AS-60733|LS-94718|CS-0206654|FT-0612720|I0327|Q27259457 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.660 |
| Log Po/w (XLOGP3) : 4.620 |
| Log Po/w (WLOGP) : 3.960 |
| Log Po/w (MLOGP) : 5.100 |
| Log Po/w (SILICOS-IT) : 4.000 |
| Consensus Log Po/w : 4.070 |